SCHEMBL20219677

SCHEMBL20219677

CCCCNc1nc(N(C)C)ncc1CC(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.41
▸ ABL1 P00519 6/20 0.41
▸ TLR8 Q9NR97 5/20 0.40
▸ TLR7 Q9NYK1 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ UTS2R Q9UKP6 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20219399 0.84 TLR8 (0.51) TLR8TLR7L3MBTL1
SCHEMBL23472165 0.84 TLR8 (0.51) TLR8TLR7L3MBTL1
SCHEMBL23472353 0.81 NPSR1 (0.39) SRCABL1TLR8TLR7ALDH1A1
SCHEMBL23472330 0.81 TLR8 (0.47) TLR8TLR7L3MBTL1
SCHEMBL23472328 0.79 SRC (0.45) SRCABL1TLR8TLR7ALDH1A1
SCHEMBL20219716 0.79 SRC (0.45) SRCABL1TLR8TLR7ALDH1A1
SCHEMBL20219338 0.67 TLR8 (0.50) TLR8TLR7L3MBTL1
SCHEMBL17035558 0.64 TLR8 (0.54) TLR8TLR7ALDH1A1KDM4ENPSR1
SCHEMBL23472189 0.63 TLR8 (0.41) SRCABL1TLR8TLR7ALDH1A1
SCHEMBL17035546 0.63 TLR8 (0.62) TLR8TLR7L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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